N-[2-(4-ethoxyphenyl)ethyl]-4-[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Chemical Structure Depiction of
N-[2-(4-ethoxyphenyl)ethyl]-4-[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
N-[2-(4-ethoxyphenyl)ethyl]-4-[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
Compound characteristics
Compound ID: | E596-0966 |
Compound Name: | N-[2-(4-ethoxyphenyl)ethyl]-4-[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide |
Molecular Weight: | 495.64 |
Molecular Formula: | C26 H33 N5 O3 S |
Smiles: | CCOc1ccc(CCNC(CCCc2nnc3N(CCC(C)C)C(c4c(ccs4)n23)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.4006 |
logD: | 3.4006 |
logSw: | -3.7889 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.411 |
InChI Key: | ZDBRFQMMLGIENC-UHFFFAOYSA-N |